SCHEMBL21396878

SCHEMBL21396878

Cn1cc2c(n1)NCc1ccccc1N2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.45
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.35
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SRC P12931 1/20 0.33
HSD17B3 P37058 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL310398 0.69 HTR5A (0.57) HTR5ABRD4CREBBPALOX15HSD17B10
SCHEMBL20635638 0.68 DRD4 (0.48) HTR5AALOX15HSD17B10DRD4GAA
SCHEMBL21396899 0.66 HTR5A (0.45) HTR5ABRD4CREBBPALOX15HSD17B10
SCHEMBL7337375 0.65 HTR5A (0.47) HTR5AALOX15HSD17B10GAANPSR1
SCHEMBL1828551 0.64
SCHEMBL2041999 0.64
SCHEMBL30668800 0.64
SCHEMBL11441092 0.64 HTR5A (0.55) HTR5ABRD4CREBBPALOX15HSD17B10
SCHEMBL22686239 0.64 MB (0.42) GAA
SCHEMBL44824 0.63 HTR5A (0.53) HTR5ABRD4CREBBPALOX15HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders Kinoxis Therapeutics Pty Ltd (AU) 2021-06-15 US disclosed
US-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS Kinoxis Therapeutics Pty Ltd (AU) 2019-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190290658-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR TREATING SOCIAL DISORDERS AND SUBSTANCE USE DISORDERS SLC18A2, SLC6A3, CES2 HTR5A 76/4885BRD4 2734/4885CREBBP 1079/4885
US-11033555-B2 Therapeutic compounds and compositions for treating social disorders and substance use disorders SLC18A2, SLC6A3, CES2 HTR5A 76/4885BRD4 2734/4885CREBBP 1079/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.